2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine

C11H20N2OS — CID 106924273

IUPAC2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine
SMILESCC1=COC(=N1)SCCCNC(C)(C)C
InChIInChI=1S/C11H20N2OS/c1-9-8-14-10(13-9)15-7-5-6-12-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyWFCKFBDEEJXFNW-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine

2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine (PubChem CID 106924273) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine
PubChem CID106924273
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine
SMILESCC1=COC(=N1)SCCCNC(C)(C)C
InChIInChI=1S/C11H20N2OS/c1-9-8-14-10(13-9)15-7-5-6-12-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyWFCKFBDEEJXFNW-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity182

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 106921975
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CID 106922014
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CID 106922139
CID 106922139
CID 106923846
CID 106923846
CID 106923871
CID 106923871
CID 106925857
CID 106925857
CID 106925873
CID 106925873
CID 165439254
CID 165439254
CID 12923388
CID 12923388
CID 20303599
CID 20303599
CID 20303645
CID 20303645
CID 21329723
CID 21329723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine (CID 106924273) is 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine is CC1=COC(=N1)SCCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine?
The InChIKey is WFCKFBDEEJXFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9-8-14-10(13-9)15-7-5-6-12-11(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine?
2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]propan-2-amine is sourced from PubChem (CID 106924273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).